2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole

C13H22N4O3S — CID 110417300

IUPAC2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(N2CCN(S(=O)(=O)C3CCCC3)CC2)o1
InChIInChI=1S/C13H22N4O3S/c1-2-12-14-15-13(20-12)16-7-9-17(10-8-16)21(18,19)11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyRCICZILKAOMIGK-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.03
Rot. Bonds4

About 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole

2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 110417300) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole
PubChem CID110417300
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(N2CCN(S(=O)(=O)C3CCCC3)CC2)o1
InChIInChI=1S/C13H22N4O3S/c1-2-12-14-15-13(20-12)16-7-9-17(10-8-16)21(18,19)11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyRCICZILKAOMIGK-UHFFFAOYSA-N
XLogP1.03
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole (CID 110417300) is 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(N2CCN(S(=O)(=O)C3CCCC3)CC2)o1.
What is the InChIKey of 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is RCICZILKAOMIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-2-12-14-15-13(20-12)16-7-9-17(10-8-16)21(18,19)11-5-3-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole?
2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 314.41 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfonylpiperazin-1-yl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 110417300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).